SCHEMBL20463166

SCHEMBL20463166

CC(C)OCCN1CCC(NC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
HTR1A P08908 10/20 0.33
HTR7 P34969 10/20 0.33
DRD2 P14416 3/20 0.32
HTR6 P50406 3/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20325149 0.92 KDM1A (0.45) KDM1ASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12395763 0.81 KDM1A (0.46) KDM1AHTR1AHTR7
SCHEMBL18611442 0.81 KDM1A (0.36) KDM1AHTR1AHTR7DRD2HTR6
SCHEMBL18591842 0.80 KCNH2 (0.42) KDM1AHTR1AHTR7
SCHEMBL18551074 0.80 HTR1A (0.33) KDM1AHTR1AHTR7
SCHEMBL24060967 0.80 KDM1A (0.51) KDM1ASLC6A2SLC6A4SLC6A3WNT1
SCHEMBL21025868 0.79 CYP2D6 (0.40) KDM1AHTR1AHTR7
SCHEMBL23695901 0.78 KDM1A (0.32) KDM1AHTR1AHTR7
SCHEMBL18591791 0.77 GBA2 (0.34) KDM1AHTR1AHTR7
SCHEMBL21472200 0.76 KDM1A (0.35) KDM1AHTR1AHTR7DRD2HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 WO disclosed